1-(3-methoxyphenyl)-5-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide

C20H17N5O2S — CID 55989961

IUPAC1-(3-methoxyphenyl)-5-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide
SMILESCOc1cccc(-n2nnc(C(=O)Nc3cccc(-c4nccs4)c3)c2C)c1
InChIInChI=1S/C20H17N5O2S/c1-13-18(23-24-25(13)16-7-4-8-17(12-16)27-2)19(26)22-15-6-3-5-14(11-15)20-21-9-10-28-20/h3-12H,1-2H3,(H,22,26)
InChIKeyWZUXDMGAIHXXJW-UHFFFAOYSA-N
MW391.46 g/mol
LogP3.96
Rot. Bonds5

About 1-(3-methoxyphenyl)-5-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide

1-(3-methoxyphenyl)-5-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide (PubChem CID 55989961) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-5-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-5-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide
PubChem CID55989961
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC Name1-(3-methoxyphenyl)-5-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide
SMILESCOc1cccc(-n2nnc(C(=O)Nc3cccc(-c4nccs4)c3)c2C)c1
InChIInChI=1S/C20H17N5O2S/c1-13-18(23-24-25(13)16-7-4-8-17(12-16)27-2)19(26)22-15-6-3-5-14(11-15)20-21-9-10-28-20/h3-12H,1-2H3,(H,22,26)
InChIKeyWZUXDMGAIHXXJW-UHFFFAOYSA-N
XLogP3.96
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(3-methoxyphenyl)-5-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 55667186
1-(3-methoxyphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 16648432
1-(3-methoxyphenyl)-5-methyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]triazole-4-carboxamide
CID 55670673
1-(3-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylphenyl)triazole-4-carboxamide
CID 55952566
N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 16648407
diethyl 5-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 55666296
ethyl 4-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 16649100
5-(methoxymethyl)-N-(3-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651697
1-(4-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 112821981
tert-butyl N-[2-methoxy-5-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]phenyl]carbamate
CID 55654521
N-(3-tert-butylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;ethane
CID 169248286
N-(5-tert-butyl-1H-pyrazol-3-yl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55976309

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-5-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-5-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide (CID 55989961) is 1-(3-methoxyphenyl)-5-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-5-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-5-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide is COc1cccc(-n2nnc(C(=O)Nc3cccc(-c4nccs4)c3)c2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-5-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide?
The InChIKey is WZUXDMGAIHXXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c1-13-18(23-24-25(13)16-7-4-8-17(12-16)27-2)19(26)22-15-6-3-5-14(11-15)20-21-9-10-28-20/h3-12H,1-2H3,(H,22,26).
What are the key properties of 1-(3-methoxyphenyl)-5-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide?
1-(3-methoxyphenyl)-5-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide has a molecular weight of 391.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-5-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 55989961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).